COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542407
Chemical Name: N-{2-hydroxy-3-[2-(methylsulfanyl)ethyl]-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-7-yl}-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Smiles: CSCCC1NC(=O)c2c(N=C1O)ccc(c2)NC(=O)Cn1nnc2c(c1=O)cccc2

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Molecular Weight: 452.49
Empirical Formula: C21H20N6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.298
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 161
Number of rings: 4

     

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